1K6X
Crystal structure of Nmra, a negative transcriptional regulator in complex with NAD at 1.5 A resolution (Trigonal form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9919 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 76.690, 76.690, 104.480 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 * - 1.500 |
R-factor | 0.182 * |
Rwork | 0.189 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k6i |
RMSD bond length | 0.009 |
RMSD bond angle | 1.540 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.064 | 0.247 |
Number of reflections | 54613 | |
<I/σ(I)> | 29.5 | 2.2 |
Completeness [%] | 95.0 | 68.4 |
Redundancy | 8.6 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | Nichols, C.E., (2001) Acta Crystallogr., Sect.D, 57, 1722. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 18 (mg/ml) | |
2 | 1 | drop | ammonium sulfate | ||
3 | 1 | drop | PEG6000 | ||
4 | 1 | reservoir | 3.6 (M) | ||
5 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
6 | 1 | reservoir | sodium potassium phosphate | 0.1 (M) |